Information card for entry 4502230

Structure parameters

• Formula: C22 H30 Cd N2 O13
• Calculated formula: C22 H24 Cd N2 O13
• Title of publication: A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties
• Authors of publication: Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 146
• a: 14.141 ± 0.004 Å
• b: 14.517 ± 0.003 Å
• c: 13.029 ± 0.003 Å
• α: 90°
• β: 99.737 ± 0.004°
• γ: 90°
• Cell volume: 2636.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No